(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate

C14H10ClFN2O4 — CID 3455489

IUPAC(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc(F)cc1
InChIInChI=1S/C14H10ClFN2O4/c15-12-7-11(18(20)21)5-6-13(12)17-14(19)22-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,17,19)
InChIKeyBSZQBKPCBGZERV-UHFFFAOYSA-N
MW324.70 g/mol
LogP4.14
Rot. Bonds4

About (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate

(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate (PubChem CID 3455489) has the molecular formula C14H10ClFN2O4 and a molecular weight of 324.70 g/mol. Its IUPAC name is (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate.

Molecular Properties

Compound Name(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate
PubChem CID3455489
Molecular FormulaC14H10ClFN2O4
Molecular Weight324.70 g/mol
Exact Mass324.03
IUPAC Name(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate
SMILESO=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc(F)cc1
InChIInChI=1S/C14H10ClFN2O4/c15-12-7-11(18(20)21)5-6-13(12)17-14(19)22-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,17,19)
InChIKeyBSZQBKPCBGZERV-UHFFFAOYSA-N
XLogP4.14
TPSA81.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.70
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-hydroxyethyl N-(2-chloro-4-nitrophenyl)carbamate
CID 79345171
1-(2-chloro-4-nitrophenyl)-3-[(4-fluorophenyl)methyl]thiourea
CID 17297756
methyl N-(2-chloro-4-nitrophenyl)carbamate
CID 5055099
(4-nitrophenyl)methyl N-(2-chloro-5-hydroxy-4-methoxyphenyl)carbamate
CID 22600008
(4-nitrophenyl)methyl N-(3-fluorophenyl)carbamate
CID 134125017
N-(2-chloro-4-nitrophenyl)-2,2-difluoroacetamide
CID 103514907
methyl 4,5-difluoro-2-[(4-nitrophenyl)methoxycarbonylamino]benzoate
CID 169223443
2-(2-chloro-4-nitroanilino)-1-(4-fluorophenyl)ethanone
CID 110825396
N'-(2-chloro-4-nitrophenyl)-N-[(4-fluorophenyl)methyl]ethane-1,2-diamine;hydrochloride
CID 17292360
2-(2-chloro-4-nitroanilino)-2-(4-fluorophenyl)acetamide
CID 133476330
1-amino-N-(2-chloro-4-nitrophenyl)cyclopropane-1-carboxamide
CID 65464856
ethyl N-(2-chloro-5-nitrophenyl)carbamate
CID 766427

Frequently Asked Questions

What is the IUPAC name of (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate?
The IUPAC name of (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate (CID 3455489) is (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate.
What is the SMILES notation for (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate?
The canonical SMILES for (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate is O=C(Nc1ccc([N+](=O)[O-])cc1Cl)OCc1ccc(F)cc1.
What is the InChIKey of (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate?
The InChIKey is BSZQBKPCBGZERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFN2O4/c15-12-7-11(18(20)21)5-6-13(12)17-14(19)22-8-9-1-3-10(16)4-2-9/h1-7H,8H2,(H,17,19).
What are the key properties of (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate?
(4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate has a molecular weight of 324.70 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorophenyl)methyl N-(2-chloro-4-nitrophenyl)carbamate is sourced from PubChem (CID 3455489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).